Information card for entry 4109584

Structure parameters

• Chemical name: 1,2-bis[bis{bis(trimethylsilyl)methyl}isopropyl}- 3,4-diphenyl-1,2-disilabenzene
• Formula: C50 H102 Si12
• Calculated formula: C50 H102 Si12
• SMILES: [Si]1(=[Si]([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)C=C(C(=C1)c1ccccc1)c1ccccc1)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C
• Title of publication: Reactivity of a Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward π-Bonds: Stereospecific Addition and a New Route to an Isolable 1,2-Disilabenzene
• Authors of publication: Rei Kinjo; Masaaki Ichinohe; Akira Sekiguchi; Nozomi Takagi; Michinori Sumimoto; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7766 - 7767
• a: 11.964 ± 0.001 Å
• b: 14.311 ± 0.0016 Å
• c: 20.267 ± 0.002 Å
• α: 110.482 ± 0.005°
• β: 91.712 ± 0.006°
• γ: 92.014 ± 0.006°
• Cell volume: 3245.4 ± 0.6 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No